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Home > Aldehydes > 886498-72-2
886498-72-2 | 2-Hydroxy-3-methoxy-4,5-dimethyl-benzaldehyde
CAS No: 886498-72-2 Catalog No: AG01EYD3 MDL No:
Product Description
Catalog Number:
AG01EYD3
Chemical Name:
2-Hydroxy-3-methoxy-4,5-dimethyl-benzaldehyde
CAS Number:
886498-72-2
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
IUPAC Name:
2-hydroxy-3-methoxy-4,5-dimethylbenzaldehyde
InChI:
InChI=1S/C10H12O3/c1-6-4-8(5-11)9(12)10(13-3)7(6)2/h4-5,12H,1-3H3
InChI Key:
BKLCJPYLMQOPBD-UHFFFAOYSA-N
SMILES:
COc1c(O)c(C=O)cc(c1C)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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